2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline

C21H35N — CID 144691723

IUPAC2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline
SMILESCC1CCC2CCCCC2C1.CC1CCCC2C=CN=CC12
InChIInChI=1S/C11H20.C10H15N/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-3-2-4-9-5-6-11-7-10(8)9/h9-11H,2-8H2,1H3;5-10H,2-4H2,1H3
InChIKeyNOPQGHNBBHMQGS-UHFFFAOYSA-N
MW301.52 g/mol
LogP6.25
Rot. Bonds

About 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline

2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline (PubChem CID 144691723) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline.

Molecular Properties

Compound Name2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline
PubChem CID144691723
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC Name2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline
SMILESCC1CCC2CCCCC2C1.CC1CCCC2C=CN=CC12
InChIInChI=1S/C11H20.C10H15N/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-3-2-4-9-5-6-11-7-10(8)9/h9-11H,2-8H2,1H3;5-10H,2-4H2,1H3
InChIKeyNOPQGHNBBHMQGS-UHFFFAOYSA-N
XLogP6.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline with MolForge

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Related Compounds

(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 58782386
5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane
CID 58552401
3-(3-methylcyclopentyl)cycloheptene
CID 163966281
1,5-di(cyclooctyl)-3-methylcyclooctane
CID 123162765
3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
CID 159988764
(1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751812
(1S,4aS,6S,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751793
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane
CID 158906506

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline?
The IUPAC name of 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline (CID 144691723) is 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline.
What is the SMILES notation for 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline?
The canonical SMILES for 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline is CC1CCC2CCCCC2C1.CC1CCCC2C=CN=CC12.
What is the InChIKey of 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline?
The InChIKey is NOPQGHNBBHMQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C10H15N/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-3-2-4-9-5-6-11-7-10(8)9/h9-11H,2-8H2,1H3;5-10H,2-4H2,1H3.
What are the key properties of 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline?
2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline has a molecular weight of 301.52 g/mol, XLogP of 6.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;8-methyl-4a,5,6,7,8,8a-hexahydroisoquinoline is sourced from PubChem (CID 144691723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).